Home Nitros 5-broMo-2-nitroisonicotinic acid

5-broMo-2-nitroisonicotinic acid

CAS No.:
1356412-82-2
Catalog Number:
AG009WJH
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009WJH
Chemical Name:
5-broMo-2-nitroisonicotinic acid
CAS Number:
1356412-82-2
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
MDL Number:
MFCD21648462
IUPAC Name:
5-bromo-2-nitropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H3BrN2O4/c7-4-2-8-5(9(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)
InChI Key:
MPPXDSQZQIBCRT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncc(c(c1)C(=O)O)Br
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.928g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.004g/mol
Monoisotopic Mass:
245.928g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties